dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium

C11H13N3PS+ — CID 6338117

IUPACdimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium
SMILESCN(C)[P+](=S)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H13N3PS/c1-13(2)15(16)11-5-3-10(4-6-11)14-8-7-12-9-14/h3-9H,1-2H3/q+1
InChIKeySQBDLWSNFSGGQX-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.92
Rot. Bonds3

About dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium

dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium (PubChem CID 6338117) has the molecular formula C11H13N3PS+ and a molecular weight of 250.29 g/mol. Its IUPAC name is dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Namedimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium
PubChem CID6338117
Molecular FormulaC11H13N3PS+
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Namedimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium
SMILESCN(C)[P+](=S)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H13N3PS/c1-13(2)15(16)11-5-3-10(4-6-11)14-8-7-12-9-14/h3-9H,1-2H3/q+1
InChIKeySQBDLWSNFSGGQX-UHFFFAOYSA-N
XLogP1.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium?
The IUPAC name of dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium (CID 6338117) is dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium.
What is the SMILES notation for dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium?
The canonical SMILES for dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium is CN(C)[P+](=S)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium?
The InChIKey is SQBDLWSNFSGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3PS/c1-13(2)15(16)11-5-3-10(4-6-11)14-8-7-12-9-14/h3-9H,1-2H3/q+1.
What are the key properties of dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium?
dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium has a molecular weight of 250.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium is sourced from PubChem (CID 6338117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).